Geometry & MOs

Info

ID:	175345
PubChem CID:	75885298
Reduced:	SN2O2C10H16 (1)
Stoich.:	AB2C2D10E16 (1)
Weight, g/mol:	308.173607
ΔH_f, kcal/mol:	-68.75
Dipole, Da:	2.73
IP(EA), eV:	-8.98(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(1-methoxypropan-2-yl)urea

Drug info:

PubChemData

Smile

CC(COC)NC(=O)NCC1=CSC=C1

DOS

IR

Vibrations